[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C14H15FN4O3S2 — CID 9086285

IUPAC[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H15FN4O3S2/c1-10-13(23-17-16-10)14(20)18-6-8-19(9-7-18)24(21,22)12-5-3-2-4-11(12)15/h2-5H,6-9H2,1H3
InChIKeyKJRLHLMTRIRDTJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.13
Rot. Bonds3

About [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 9086285) has the molecular formula C14H15FN4O3S2 and a molecular weight of 370.43 g/mol. Its IUPAC name is [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID9086285
Molecular FormulaC14H15FN4O3S2
Molecular Weight370.43 g/mol
Exact Mass370.06
IUPAC Name[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H15FN4O3S2/c1-10-13(23-17-16-10)14(20)18-6-8-19(9-7-18)24(21,22)12-5-3-2-4-11(12)15/h2-5H,6-9H2,1H3
InChIKeyKJRLHLMTRIRDTJ-UHFFFAOYSA-N
XLogP1.13
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 4807256
(4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9086255
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 30796082
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 27163251
5-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-4-methyl-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 22109162
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 4807276
(2-chloro-4-pyridinyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38120168
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 26814306
(4-chloro-2-pyridinyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 16560830
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 8925286
3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 9192798
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 4850277

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 9086285) is [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is KJRLHLMTRIRDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3S2/c1-10-13(23-17-16-10)14(20)18-6-8-19(9-7-18)24(21,22)12-5-3-2-4-11(12)15/h2-5H,6-9H2,1H3.
What are the key properties of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 370.43 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 9086285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).